SCHEMBL772671

SCHEMBL772671

COCOc1ccc(-c2[nH]c3cc(C(=O)OC)ccc3c2C2CCCCC2)c(OCOC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.41
PARP1 P09874 3/20 0.41
KIF11 P52732 1/20 0.40
GSK3B P49841 1/20 0.37
ALDH1A1 P00352 6/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
DYRK1A Q13627 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2281027 0.96 EGFR (0.41) EGFRPARP1KIF11GSK3BALDH1A1
SCHEMBL2273262 0.91 EGFR (0.41) EGFRPARP1KIF11GSK3BALDH1A1
SCHEMBL2274017 0.89 SYK (0.38) PARP1KIF11ALDH1A1MAPK1HPGD
SCHEMBL2277451 0.88 ENPP1 (0.39) EGFRPARP1KIF11GSK3BALDH1A1
SCHEMBL2275400 0.81 PARP1 (0.42) PARP1KIF11GSK3BALDH1A1MAPK1
SCHEMBL2279943 0.81 PARP1 (0.45) PARP1KIF11GSK3BALDH1A1MAPK1
SCHEMBL804641 0.81 TLR9 (0.31) DYRK1A
SCHEMBL13936706 0.80 PARP1 (0.51) PARP1KIF11GSK3BALDH1A1MAPK1
SCHEMBL3093015 0.79 PARP1 (0.43) PARP1KIF11GSK3BALDH1A1MAPK1
SCHEMBL772563 0.79 PARP1 (0.46) PARP1KIF11GSK3BALDH1A1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 EGFR 3727/4885PARP1 1815/4885KIF11 2609/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 EGFR 3727/4885PARP1 1815/4885KIF11 2609/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.